N-naphthalen-2-ylsulfanyl-4-oxopentanamide

C15H15NO2S — CID 177187621

IUPACN-naphthalen-2-ylsulfanyl-4-oxopentanamide
SMILESCC(=O)CCC(=O)NSc1ccc2ccccc2c1
InChIInChI=1S/C15H15NO2S/c1-11(17)6-9-15(18)16-19-14-8-7-12-4-2-3-5-13(12)10-14/h2-5,7-8,10H,6,9H2,1H3,(H,16,18)
InChIKeyVPNAMGLYWWBCAS-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.33
Rot. Bonds5

About N-naphthalen-2-ylsulfanyl-4-oxopentanamide

N-naphthalen-2-ylsulfanyl-4-oxopentanamide (PubChem CID 177187621) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-naphthalen-2-ylsulfanyl-4-oxopentanamide.

Molecular Properties

Compound NameN-naphthalen-2-ylsulfanyl-4-oxopentanamide
PubChem CID177187621
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-naphthalen-2-ylsulfanyl-4-oxopentanamide
SMILESCC(=O)CCC(=O)NSc1ccc2ccccc2c1
InChIInChI=1S/C15H15NO2S/c1-11(17)6-9-15(18)16-19-14-8-7-12-4-2-3-5-13(12)10-14/h2-5,7-8,10H,6,9H2,1H3,(H,16,18)
InChIKeyVPNAMGLYWWBCAS-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-ylsulfanyl-4-oxopentanamide?
The IUPAC name of N-naphthalen-2-ylsulfanyl-4-oxopentanamide (CID 177187621) is N-naphthalen-2-ylsulfanyl-4-oxopentanamide.
What is the SMILES notation for N-naphthalen-2-ylsulfanyl-4-oxopentanamide?
The canonical SMILES for N-naphthalen-2-ylsulfanyl-4-oxopentanamide is CC(=O)CCC(=O)NSc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-ylsulfanyl-4-oxopentanamide?
The InChIKey is VPNAMGLYWWBCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-11(17)6-9-15(18)16-19-14-8-7-12-4-2-3-5-13(12)10-14/h2-5,7-8,10H,6,9H2,1H3,(H,16,18).
What are the key properties of N-naphthalen-2-ylsulfanyl-4-oxopentanamide?
N-naphthalen-2-ylsulfanyl-4-oxopentanamide has a molecular weight of 273.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-ylsulfanyl-4-oxopentanamide is sourced from PubChem (CID 177187621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).